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811830-43-0 | Thiophene, 3-bromo-2-methoxy-4-methyl-5-phenyl-
CAS No: 811830-43-0 Catalog No: AG005FCV MDL No:
Product Description
Catalog Number:
AG005FCV
Chemical Name:
Thiophene, 3-bromo-2-methoxy-4-methyl-5-phenyl-
CAS Number:
811830-43-0
Molecular Formula:
C12H11BrOS
Molecular Weight:
283.1841
IUPAC Name:
3-bromo-2-methoxy-4-methyl-5-phenylthiophene
InChI:
InChI=1S/C12H11BrOS/c1-8-10(13)12(14-2)15-11(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
CFJGRXXJJZBDRO-UHFFFAOYSA-N
SMILES:
COc1sc(c(c1Br)C)c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.183g/mol
Monoisotopic Mass:
281.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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